UCSF

ZINC33814138

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 38 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.01 15.89 -70.8 1 8 0 91 518.658 13
Lo Low (pH 4.5-6) 5.01 14.59 -55.28 2 8 1 89 519.666 13

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )